orbital_charges     :real:2:4,17
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  0.000000000000000E+000  0.828011987556634E+000  0.000000000000000E+000
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  0.179232094745504E+001  0.142019188381274E+001
forces              :real:2:3,17
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  0.253314263268530E-001  0.961878118051570E-005  0.106718780352899E-001
mermin_energy       :real:0:
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end_coords          :real:2:3,17
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 -0.221645961200422E+000  0.846408270284500E-001  0.859702492614152E+001
